Geometry & MOs

Info

ID:	105304
PubChem CID:	50106866
Reduced:	N5O6C27H35 (1)
Stoich.:	A5B6C27D35 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-226.69
Dipole, Da:	8.4
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations